N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C19H20N8OS — CID 26406732

IUPACN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESc1ccc([C@H](Cn2ccnc2)Nc2nc3nonc3nc2N2CCSCC2)cc1
InChIInChI=1S/C19H20N8OS/c1-2-4-14(5-3-1)15(12-26-7-6-20-13-26)21-18-19(27-8-10-29-11-9-27)23-17-16(22-18)24-28-25-17/h1-7,13,15H,8-12H2,(H,21,22,24)/t15-/m0/s1
InChIKeyNFPQOLSWOXSCHU-HNNXBMFYSA-N
MW408.49 g/mol
LogP2.62
Rot. Bonds6

About N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 26406732) has the molecular formula C19H20N8OS and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID26406732
Molecular FormulaC19H20N8OS
Molecular Weight408.49 g/mol
Exact Mass408.15
IUPAC NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESc1ccc([C@H](Cn2ccnc2)Nc2nc3nonc3nc2N2CCSCC2)cc1
InChIInChI=1S/C19H20N8OS/c1-2-4-14(5-3-1)15(12-26-7-6-20-13-26)21-18-19(27-8-10-29-11-9-27)23-17-16(22-18)24-28-25-17/h1-7,13,15H,8-12H2,(H,21,22,24)/t15-/m0/s1
InChIKeyNFPQOLSWOXSCHU-HNNXBMFYSA-N
XLogP2.62
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine with MolForge

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Related Compounds

4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39805410
6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95730110
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97279933
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888823
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-(2-imidazol-1-yl-1-phenylethyl)-2-methyl-2-morpholin-4-ylpropanamide
CID 91828526
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 66763023
2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
CID 166334268
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 26406732) is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is c1ccc([C@H](Cn2ccnc2)Nc2nc3nonc3nc2N2CCSCC2)cc1.
What is the InChIKey of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is NFPQOLSWOXSCHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N8OS/c1-2-4-14(5-3-1)15(12-26-7-6-20-13-26)21-18-19(27-8-10-29-11-9-27)23-17-16(22-18)24-28-25-17/h1-7,13,15H,8-12H2,(H,21,22,24)/t15-/m0/s1.
What are the key properties of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 408.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 26406732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).